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Search results for vasp crystal structure
crystal-structure
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vasp
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4 search results found
Disorder
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36
A code for generating irreducible site-occupancy configurations
Tilde
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19
Materials informatics framework for ab initio data repositories
Mpds Ml Labs
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10
This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical properties from the only crystalline structure (POSCAR or CIF).
Cif2cell
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7
cif2cell compatible with Python 3+
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